4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine

C14H22N2O — CID 95241594

IUPAC4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
SMILESC[C@H](NC1(CN)CCOCC1)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-12(13-5-3-2-4-6-13)16-14(11-15)7-9-17-10-8-14/h2-6,12,16H,7-11,15H2,1H3/t12-/m0/s1
InChIKeySJSHDLFGAZOKEL-LBPRGKRZSA-N
MW234.34 g/mol
LogP1.85
Rot. Bonds4

About 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine

4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine (PubChem CID 95241594) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
PubChem CID95241594
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
SMILESC[C@H](NC1(CN)CCOCC1)c1ccccc1
InChIInChI=1S/C14H22N2O/c1-12(13-5-3-2-4-6-13)16-14(11-15)7-9-17-10-8-14/h2-6,12,16H,7-11,15H2,1H3/t12-/m0/s1
InChIKeySJSHDLFGAZOKEL-LBPRGKRZSA-N
XLogP1.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
4-(aminomethyl)-1-methyl-N-(1-phenylethyl)piperidin-4-amine
CID 65193981
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcyclohexan-1-amine
CID 65193606
5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine
CID 133345750
1-(2-methylprop-2-enyl)-2-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111812851
3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine
CID 79950710
4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
CID 75494222
N-[(4-methyloxan-4-yl)methyl]-1-phenylethanamine
CID 103742213
1-(aminomethyl)-N-(1-phenylethyl)-4-propylcycloheptan-1-amine
CID 65193341
(3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine
CID 97232519
2-methyl-1-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-3-prop-2-enylguanidine
CID 111826452

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine (CID 95241594) is 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine is C[C@H](NC1(CN)CCOCC1)c1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine?
The InChIKey is SJSHDLFGAZOKEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(13-5-3-2-4-6-13)16-14(11-15)7-9-17-10-8-14/h2-6,12,16H,7-11,15H2,1H3/t12-/m0/s1.
What are the key properties of 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine?
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine has a molecular weight of 234.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine is sourced from PubChem (CID 95241594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).